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Substance Name: Avermectin A1a, 22,23-dihydro-4''-(acetylamino)-5-O-demethyl-4''-deoxy-26-((2-methoxyethoxy)methoxy)-, (4''R)-
RN: 148865-44-5
InChIKey: PKWQNPKSKLYKFX-NLGMDJEFSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C54-H85-N-O17

Molecular Weight

  • 1020.2555
 
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Names and Synonyms

  • Avermectin A1a, 22,23-dihydro-4''-(acetylamino)-5-O-demethyl-4''-deoxy-26-((2-methoxyethoxy)methoxy)-, (4''R)-

Registry Numbers

CAS Registry Number

  • 148865-44-5

System Generated Number

  • 0148865445

Structure Descriptors

InChI

1S/C54H85NO17/c1-12-30(2)49-33(5)18-19-53(72-49)26-40-23-39(71-53)17-16-32(4)48(69-45-25-43(62-11)50(35(7)67-45)70-44-24-42(61-10)46(34(6)66-44)55-36(8)56)31(3)14-13-15-38-28-65-51-47(57)37(27-64-29-63-21-20-60-9)22-41(52(58)68-40)54(38,51)59/h13-16,22,30-31,33-35,39-51,57,59H,12,17-21,23-29H2,1-11H3,(H,55,56)/b14-13+,32-16+,38-15+

InChIKey

PKWQNPKSKLYKFX-NLGMDJEFSA-N

Smiles

CCC(C)C1C(CCC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)COCOCCOC)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC(=O)C)OC)OC)\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 320mg/kg (320mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 42, Pg. 1786, 1994.